1-ethyl-4-undecylpiperazine

C17H36N2 — CID 21399231

IUPAC1-ethyl-4-undecylpiperazine
SMILESCCCCCCCCCCCN1CCN(CC)CC1
InChIInChI=1S/C17H36N2/c1-3-5-6-7-8-9-10-11-12-13-19-16-14-18(4-2)15-17-19/h3-17H2,1-2H3
InChIKeyXMOZQYHMRHDWQR-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.15
Rot. Bonds11

About 1-ethyl-4-undecylpiperazine

1-ethyl-4-undecylpiperazine (PubChem CID 21399231) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-ethyl-4-undecylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-undecylpiperazine
PubChem CID21399231
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-ethyl-4-undecylpiperazine
SMILESCCCCCCCCCCCN1CCN(CC)CC1
InChIInChI=1S/C17H36N2/c1-3-5-6-7-8-9-10-11-12-13-19-16-14-18(4-2)15-17-19/h3-17H2,1-2H3
InChIKeyXMOZQYHMRHDWQR-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-heptylpiperazine
CID 21399221
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-heptylazetidine
CID 134402356
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
1-hexyl-4-iodopiperazine
CID 167297549
(4-nonylpiperazin-1-yl)methanol
CID 574800
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
1-(5-chloropentyl)-4-pentylpiperazine
CID 67898434

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-undecylpiperazine?
The IUPAC name of 1-ethyl-4-undecylpiperazine (CID 21399231) is 1-ethyl-4-undecylpiperazine.
What is the SMILES notation for 1-ethyl-4-undecylpiperazine?
The canonical SMILES for 1-ethyl-4-undecylpiperazine is CCCCCCCCCCCN1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-undecylpiperazine?
The InChIKey is XMOZQYHMRHDWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-3-5-6-7-8-9-10-11-12-13-19-16-14-18(4-2)15-17-19/h3-17H2,1-2H3.
What are the key properties of 1-ethyl-4-undecylpiperazine?
1-ethyl-4-undecylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 4.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-undecylpiperazine is sourced from PubChem (CID 21399231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).